2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide

C14H16ClF3N2O3 — CID 56881232

IUPAC2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H16ClF3N2O3/c15-10-1-2-11(23-8-13(19)21)9(5-10)6-20-3-4-22-12(7-20)14(16,17)18/h1-2,5,12H,3-4,6-8H2,(H2,19,21)
InChIKeyKVHVEWQMMBZMTH-UHFFFAOYSA-N
MW352.74 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide

2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide (PubChem CID 56881232) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
PubChem CID56881232
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H16ClF3N2O3/c15-10-1-2-11(23-8-13(19)21)9(5-10)6-20-3-4-22-12(7-20)14(16,17)18/h1-2,5,12H,3-4,6-8H2,(H2,19,21)
InChIKeyKVHVEWQMMBZMTH-UHFFFAOYSA-N
XLogP1.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
2-[4-chloro-2-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 99959538
[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
CID 154887461
4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 103046739
2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide
CID 99981916
2-[4-chloro-2-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 99933372
2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549733
2-[4-chloro-2-[[4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 73058896

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide (CID 56881232) is 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide is NC(=O)COc1ccc(Cl)cc1CN1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The InChIKey is KVHVEWQMMBZMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c15-10-1-2-11(23-8-13(19)21)9(5-10)6-20-3-4-22-12(7-20)14(16,17)18/h1-2,5,12H,3-4,6-8H2,(H2,19,21).
What are the key properties of 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide?
2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide has a molecular weight of 352.74 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 56881232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).